2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-(trifluoromethyl)phenyl]acetamide Formula: C18H16F3NO3S MolecularWeight: 383.38475

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(F)(F)F)OC1

InChI

InChI=1S/C18H16F3NO3S/c19-18(20,21)12-2-4-13(5-3-12)22-17(23)11-26-14-6-7-15-16(10-14)25-9-1-8-24-15/h2-7,10H,1,8-9,11H2,(H,22,23)